2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-1-ylphenyl)-6-(4-dibenzothiophen-1-ylphenyl)-1,3,5-triazine

C51H29N3S3 — CID 139304158

IUPAC2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-1-ylphenyl)-6-(4-dibenzothiophen-1-ylphenyl)-1,3,5-triazine
SMILESc1cc(-c2nc(-c3ccc(-c4cccc5sc6ccccc6c45)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C51H29N3S3/c1-4-20-41-36(13-1)37-18-8-19-40(48(37)57-41)51-53-49(31-27-25-30(26-28-31)34-16-9-23-44-46(34)38-14-2-5-21-42(38)55-44)52-50(54-51)33-12-7-11-32(29-33)35-17-10-24-45-47(35)39-15-3-6-22-43(39)56-45/h1-29H
InChIKeyFILSFSPPLAKYEM-UHFFFAOYSA-N
MW780.02 g/mol
LogP15.31
Rot. Bonds5

About 2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-1-ylphenyl)-6-(4-dibenzothiophen-1-ylphenyl)-1,3,5-triazine

2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-1-ylphenyl)-6-(4-dibenzothiophen-1-ylphenyl)-1,3,5-triazine (PubChem CID 139304158) has the molecular formula C51H29N3S3 and a molecular weight of 780.02 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-1-ylphenyl)-6-(4-dibenzothiophen-1-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-1-ylphenyl)-6-(4-dibenzothiophen-1-ylphenyl)-1,3,5-triazine
PubChem CID139304158
Molecular FormulaC51H29N3S3
Molecular Weight780.02 g/mol
Exact Mass779.15
IUPAC Name2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-1-ylphenyl)-6-(4-dibenzothiophen-1-ylphenyl)-1,3,5-triazine
SMILESc1cc(-c2nc(-c3ccc(-c4cccc5sc6ccccc6c45)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C51H29N3S3/c1-4-20-41-36(13-1)37-18-8-19-40(48(37)57-41)51-53-49(31-27-25-30(26-28-31)34-16-9-23-44-46(34)38-14-2-5-21-42(38)55-44)52-50(54-51)33-12-7-11-32(29-33)35-17-10-24-45-47(35)39-15-3-6-22-43(39)56-45/h1-29H
InChIKeyFILSFSPPLAKYEM-UHFFFAOYSA-N
XLogP15.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.02
LogP ≤ 515.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-6-(3-dibenzothiophen-1-ylphenyl)-1,3,5-triazine
CID 139305040
2-(3-dibenzothiophen-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 139304577
2-dibenzothiophen-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 147261190
2-(3-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 169291118
2-(3-dibenzothiophen-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-3-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 161029861
2-(3-dibenzothiophen-1-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-3-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167660422
2,4-bis(3-dibenzothiophen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 139304118
2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176831433
2-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942605
2-(4-dibenzothiophen-4-ylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850283
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425260
2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953027

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-1-ylphenyl)-6-(4-dibenzothiophen-1-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-1-ylphenyl)-6-(4-dibenzothiophen-1-ylphenyl)-1,3,5-triazine (CID 139304158) is 2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-1-ylphenyl)-6-(4-dibenzothiophen-1-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-1-ylphenyl)-6-(4-dibenzothiophen-1-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-1-ylphenyl)-6-(4-dibenzothiophen-1-ylphenyl)-1,3,5-triazine is c1cc(-c2nc(-c3ccc(-c4cccc5sc6ccccc6c45)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc(-c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-1-ylphenyl)-6-(4-dibenzothiophen-1-ylphenyl)-1,3,5-triazine?
The InChIKey is FILSFSPPLAKYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3S3/c1-4-20-41-36(13-1)37-18-8-19-40(48(37)57-41)51-53-49(31-27-25-30(26-28-31)34-16-9-23-44-46(34)38-14-2-5-21-42(38)55-44)52-50(54-51)33-12-7-11-32(29-33)35-17-10-24-45-47(35)39-15-3-6-22-43(39)56-45/h1-29H.
What are the key properties of 2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-1-ylphenyl)-6-(4-dibenzothiophen-1-ylphenyl)-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-1-ylphenyl)-6-(4-dibenzothiophen-1-ylphenyl)-1,3,5-triazine has a molecular weight of 780.02 g/mol, XLogP of 15.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-1-ylphenyl)-6-(4-dibenzothiophen-1-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 139304158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).